CHEBI:63595 - 5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid

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ChEBI Name 5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid
ChEBI ID CHEBI:63595
ChEBI ASCII Name 5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid
Definition A tertiary amino compound in which nitrogen is substituted by a methyl group, a 5-carboxypentyl group and a 4-[2-(4-cyanophenyl)vinyl]phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H22N2O2
Net Charge 0
Average Mass 334.41160
Monoisotopic Mass 334.16813
InChI InChI=1S/C21H22N2O2/c1-23(15-3-2-4-21(24)25)20-13-11-18(12-14-20)6-5-17-7-9-19(16-22)10-8-17/h5-14H,2-4,15H2,1H3,(H,24,25)/b6-5+
InChIKey ZJVNDTIARCDQHR-AATRIKPKSA-N
SMILES CN(CCCCC(O)=O)c1ccc(cc1)\C=C\c1ccc(cc1)C#N
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid (CHEBI:63595) is a monocarboxylic acid (CHEBI:25384)
5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid (CHEBI:63595) is a nitrile (CHEBI:18379)
5-{N-[4-(4-cyanostyryl)phenyl]-N-methylamino}pentanoic acid (CHEBI:63595) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
5-[{4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl}(methyl)amino]pentanoic acid
Registry Number Type Source
10700840 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17089439 PubMed citation Europe PMC
Last Modified
16 January 2012